4-[2-methoxy-3-oxidanyl-3-oxidanylidene-1-[2-(3-phenylpropyl)phenyl]propyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-methoxy-3-oxidanyl-3-oxidanylidene-1-[2-(3-phenylpropyl)phenyl]propyl]sulfanylbenzoic acid Openeye Name: 4-[3-hydroxy-2-methoxy-3-oxo-1-[2-(3-phenylpropyl)phenyl]propyl]sulfanylbenzoic acid CAS Name: 4-[[3-hydroxy-2-methoxy-3-oxo-1-[2-(3-phenylpropyl)phenyl]propyl]thio]benzoic acid IUPAC Name: 4-[3-hydroxy-2-methoxy-3-oxo-1-[2-(3-phenylpropyl)phenyl]propyl]sulfanylbenzoic acid Traditional Name: 4-[[3-hydroxy-3-keto-2-methoxy-1-[2-(3-phenylpropyl)phenyl]propyl]thio]benzoic acid Formula: C26H26O5S MolecularWeight: 450.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1CCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

COC(C(C1=CC=CC=C1CCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C26H26O5S/c1-31-23(26(29)30)24(32-21-16-14-20(15-17-21)25(27)28)22-13-6-5-11-19(22)12-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13-17,23-24H,7,10,12H2,1H3,(H,27,28)(H,29,30)